UCSF

ZINC44265047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.48 -14.33 1 4 0 51 259.696 2
Hi High (pH 8-9.5) 3.31 6.05 -47.44 0 4 -1 49 258.688 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )